SCHEMBL5097673

SCHEMBL5097673

COC(=O)c1cc(OCCCc2ccccc2)c2cc(F)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.57
ALDH1A1 P00352 1/20 0.46
DHODH Q02127 1/20 0.44
MMP13 P45452 1/20 0.42
MTNR1B P49286 1/20 0.42
DAGLA Q9Y4D2 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
PRNP P04156 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5091950 0.94 PLA2G2A (0.58) PLA2G2AALDH1A1DHODHMMP13MTNR1B
SCHEMBL5098674 0.89 PLA2G2A (0.47) PLA2G2AALDH1A1DHODHDAGLAKDM4E
SCHEMBL5098634 0.88 PLA2G2A (0.47) PLA2G2AALDH1A1DHODHKDM4EHSD17B10
SCHEMBL5097651 0.87 PLA2G2A (0.53) PLA2G2ADHODHMTNR1BKDM4EMAPT
SCHEMBL5093351 0.87 PLA2G2A (0.48) PLA2G2AALDH1A1DHODHKDM4EHSD17B10
SCHEMBL4621671 0.86 PLA2G2A (0.45) PLA2G2ADHODHKDM4EHSD17B10MAPT
SCHEMBL5092051 0.85 PLA2G2A (0.44) PLA2G2ADHODHKDM4EHSD17B10PRNP
SCHEMBL5090515 0.85 PLA2G2A (0.47) PLA2G2AALDH1A1DHODHKDM4EMAPT
SCHEMBL5093369 0.84 PLA2G2A (0.45) PLA2G2ADHODHKDM4EHSD17B10MAPT
SCHEMBL5090593 0.83 PLA2G2A (0.46) PLA2G2ADHODHKDM4EHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed